SCHEMBL347655

SCHEMBL347655

CCOC(=O)c1ccc(NC(=O)NCC2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
MAPT P10636 6/20 0.61
NAMPT P43490 4/20 0.61
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
CASP3 P42574 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
NPC1 O15118 2/20 0.59
GAA P10253 1/20 0.58
HTT P42858 3/20 0.58
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
CASR P41180 1/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23453382 0.81 NPC1 (0.71) RAB9ANAMPTKMT2AMEN1NPC1
SCHEMBL347864 0.80 NPC1 (0.69) RAB9ANAMPTKMT2AMEN1NPC1
SCHEMBL16223190 0.79 NAMPT (0.69) RAB9AMAPTNAMPTKMT2AMEN1
SCHEMBL346651 0.78 MAPT (0.73) RAB9AMAPTKMT2AMEN1CASP3
SCHEMBL15714980 0.78 MAPT (0.72) RAB9AMAPTNAMPTKMT2AMEN1
SCHEMBL4113307 0.78 MAPT (0.77) RAB9AMAPTNAMPTKMT2AMEN1
SCHEMBL20379660 0.78 CASR (0.65) MAPTNAMPTKMT2AMEN1CASP3
SCHEMBL4945166 0.78 CASR (0.65) MAPTNAMPTKMT2AMEN1CASP3
SCHEMBL25228303 0.77 RAB9A (1.00) RAB9AMAPTKMT2AMEN1CASP3
SCHEMBL4922844 0.77 MAPT (0.75) RAB9AMAPTNAMPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
EP-2493855-B1 (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME (NL) 2014-02-26 EP disclosed
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-16 EP disclosed
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 US disclosed
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2012-09-20 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
EP-2297118-B1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-10-05 EP disclosed
EP-2318368-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. Organon (NL) 2011-05-11 EP disclosed
WO-2011051282-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2011-05-05 WO disclosed
WO-2011051282-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2011-05-05 WO disclosed
EP-2297118-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. Organon (NL) 2011-03-23 EP disclosed
WO-2010025179-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2010-03-04 WO disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 US disclosed
WO-2009138438-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. ORGANON (NL) 2009-11-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES FFAR2, FFAR3, FFAR1 RAB9A 3099/4885MAPT 3132/4885NAMPT 3492/4885
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS TGFB1, FPR1, TGFB2 RAB9A 3794/4885MAPT 2944/4885NAMPT 4616/4885
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 RAB9A 1970/4885MAPT 2600/4885NAMPT 4267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.